6JXS
Crystal Structure of Indigo reductase (Y151F) from Bacillus smithii type strain DSM 4216
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-02-29 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.274, 104.214, 87.724 |
| Unit cell angles | 90.00, 92.13, 90.00 |
Refinement procedure
| Resolution | 33.140 - 1.950 |
| Rwork | 0.197 |
| R-free | 0.20660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6jxn |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.970 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.099 | 0.251 |
| Number of reflections | 63458 | 62747 |
| <I/σ(I)> | 20.8 | |
| Completeness [%] | 98.9 | |
| Redundancy | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 293 | 36 % PEG600 0.1 M Phosphate-citrate buffer (pH 4.2) |
